| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:42 UTC |
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| Update Date | 2025-03-21 18:05:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056685 |
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| Frequency | 56.1 |
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| Structure | |
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| Chemical Formula | C8H9NO5S |
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| Molecular Mass | 231.0201 |
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| SMILES | O=S(=O)(O)OC1CNc2ccccc2O1 |
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| InChI Key | KMNZXKKISBEKGB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzoxazines |
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| Subclass | benzoxazines |
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| Direct Parent | benzoxazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl sulfatesazacyclic compoundsbenzenoidsbenzomorpholineshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alkylarylaminessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterbenzomorpholineorganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundorganic sulfuric acid or derivativesazacyclebenzoxazinesecondary amineoxazinanesecondary aliphatic/aromatic amineoxacyclemorpholineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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